2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

C14H26N4O — CID 112669485

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CCC(COC)C1
InChIInChI=1S/C14H26N4O/c1-4-13-12(9-17(2)16-13)14(7-15)18-6-5-11(8-18)10-19-3/h9,11,14H,4-8,10,15H2,1-3H3
InChIKeyRYTZVTJRXIUQJC-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.95
Rot. Bonds6

About 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 112669485) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID112669485
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CCC(COC)C1
InChIInChI=1S/C14H26N4O/c1-4-13-12(9-17(2)16-13)14(7-15)18-6-5-11(8-18)10-19-3/h9,11,14H,4-8,10,15H2,1-3H3
InChIKeyRYTZVTJRXIUQJC-UHFFFAOYSA-N
XLogP0.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 115989994
2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 112669237
2-(4-cyclopropylpiperazin-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 115989905
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
CID 64568893
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592634
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 112669485) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is CCc1nn(C)cc1C(CN)N1CCC(COC)C1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is RYTZVTJRXIUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-13-12(9-17(2)16-13)14(7-15)18-6-5-11(8-18)10-19-3/h9,11,14H,4-8,10,15H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 112669485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).